dipropan-2-yl 4-hydroxy-4-methyl-6-oxo-2-[(E)-2-phenylethenyl]cyclohexane-1,3-dicarboxylate

Base Information

• Chemical Name: dipropan-2-yl 4-hydroxy-4-methyl-6-oxo-2-[(E)-2-phenylethenyl]cyclohexane-1,3-dicarboxylate
• CAS No.: 6042-94-0
• Molecular Formula: C23H30O6
• Molecular Weight: 402.4807
• DSSTox Substance ID: DTXSID40417375
• Mol file: 6042-94-0.mol

Synonyms:6042-94-0;AC1NT6VF;Oprea1_495479;DTXSID40417375;SMSF0011994;STL527394;AKOS001686099;CB14894;CCG-115031;4-Hydroxy-4-methyl-6-oxo-2-styryl-cyclohexane-1,3-dicarboxylic acid diisopropyl;dipropan-2-yl 4-hydroxy-4-methyl-6-oxo-2-[(E)-2-phenylethenyl]cyclohexane-1,3-dicarboxylate;BIM-0011647.P001

Chemical Property of dipropan-2-yl 4-hydroxy-4-methyl-6-oxo-2-[(E)-2-phenylethenyl]cyclohexane-1,3-dicarboxylate

Chemical Property:

• Vapor Pressure: 5.71E-12mmHg at 25°C
• Boiling Point: 527.8°Cat760mmHg
• Flash Point: 174.6°C
• Density: 1.189g/cm³
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 402.20423867
• Heavy Atom Count: 29
• Complexity: 631

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)OC(=O)C1C(C(C(CC1=O)(C)O)C(=O)OC(C)C)C=CC2=CC=CC=C2
• Isomeric SMILES: CC(C)OC(=O)C1C(C(C(CC1=O)(C)O)C(=O)OC(C)C)/C=C/C2=CC=CC=C2